N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

InChI

InChI=1S/C31H41N5O3/c32-18-23-8-4-9-24(16-23)19-34-29(37)28-17-27(21-36(28)31(39)26-10-5-14-33-20-26)35(30(38)25-11-12-25)15-13-22-6-2-1-3-7-22/h1-3,5-7,10,14,20,23-25,27-28H,4,8-9,11-13,15-19,21,32H2,(H,34,37)